4-hydroxy-3,5-dimethoxyphthalic acid

C10H10O7 — CID 13245073

IUPAC4-hydroxy-3,5-dimethoxyphthalic acid
SMILESCOc1cc(C(=O)O)c(C(=O)O)c(OC)c1O
InChIInChI=1S/C10H10O7/c1-16-5-3-4(9(12)13)6(10(14)15)8(17-2)7(5)11/h3,11H,1-2H3,(H,12,13)(H,14,15)
InChIKeyXIRGECFTINXVQF-UHFFFAOYSA-N
MW242.18 g/mol
LogP0.81
Rot. Bonds4

About 4-hydroxy-3,5-dimethoxyphthalic acid

4-hydroxy-3,5-dimethoxyphthalic acid (PubChem CID 13245073) has the molecular formula C10H10O7 and a molecular weight of 242.18 g/mol. Its IUPAC name is 4-hydroxy-3,5-dimethoxyphthalic acid.

Molecular Properties

Compound Name4-hydroxy-3,5-dimethoxyphthalic acid
PubChem CID13245073
Molecular FormulaC10H10O7
Molecular Weight242.18 g/mol
Exact Mass242.04
IUPAC Name4-hydroxy-3,5-dimethoxyphthalic acid
SMILESCOc1cc(C(=O)O)c(C(=O)O)c(OC)c1O
InChIInChI=1S/C10H10O7/c1-16-5-3-4(9(12)13)6(10(14)15)8(17-2)7(5)11/h3,11H,1-2H3,(H,12,13)(H,14,15)
InChIKeyXIRGECFTINXVQF-UHFFFAOYSA-N
XLogP0.81
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.18
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,5-dimethoxyphthalic acid?
The IUPAC name of 4-hydroxy-3,5-dimethoxyphthalic acid (CID 13245073) is 4-hydroxy-3,5-dimethoxyphthalic acid.
What is the SMILES notation for 4-hydroxy-3,5-dimethoxyphthalic acid?
The canonical SMILES for 4-hydroxy-3,5-dimethoxyphthalic acid is COc1cc(C(=O)O)c(C(=O)O)c(OC)c1O.
What is the InChIKey of 4-hydroxy-3,5-dimethoxyphthalic acid?
The InChIKey is XIRGECFTINXVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O7/c1-16-5-3-4(9(12)13)6(10(14)15)8(17-2)7(5)11/h3,11H,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 4-hydroxy-3,5-dimethoxyphthalic acid?
4-hydroxy-3,5-dimethoxyphthalic acid has a molecular weight of 242.18 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5-dimethoxyphthalic acid is sourced from PubChem (CID 13245073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).